bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)

C144H288N16 — CID 167609885

IUPACbis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
SMILESCC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/2C19H38N2.4C18H36N2.2C17H34N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;4*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;2*1-16(2,3)15-7-9-18(10-8-15)11-14-12-19(13-14)17(4,5)6/h2*16-17H,7-15H2,1-6H3;4*15-16H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3/t;;4*15-;;/m..1100../s1
InChIKeyKWWYTGRGQPSZHZ-QZCUNTRPSA-N
MW2244.00 g/mol
LogP30.92
Rot. Bonds16

About bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)

bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) (PubChem CID 167609885) has the molecular formula C144H288N16 and a molecular weight of 2244.00 g/mol. Its IUPAC name is bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine).

Molecular Properties

Compound Namebis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
PubChem CID167609885
Molecular FormulaC144H288N16
Molecular Weight2244.00 g/mol
Exact Mass2242.30
IUPAC Namebis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
SMILESCC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/2C19H38N2.4C18H36N2.2C17H34N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;4*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;2*1-16(2,3)15-7-9-18(10-8-15)11-14-12-19(13-14)17(4,5)6/h2*16-17H,7-15H2,1-6H3;4*15-16H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3/t;;4*15-;;/m..1100../s1
InChIKeyKWWYTGRGQPSZHZ-QZCUNTRPSA-N
XLogP30.92
TPSA51.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.00
LogP ≤ 530.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) with MolForge

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Launch Full Analysis

Related Compounds

1-Tert-butyl-4-methyl-4-propan-2-ylpiperidine;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;1,3-ditert-butylazetidine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylpyrrolidine
CID 157218252
2-Methyl-7-propan-2-yl-7-azaspiro[3.5]nonane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 157345444
(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine
CID 157457548
2,6-dimethylheptane;2,5-dimethylhexane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;tetrakis(1,3-di(propan-2-yl)cyclobutane);bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;bis(1,3-di(propan-2-yl)pyrrolidine);bis(2-(2-methylpropyl)-1-propan-2-ylazetidine);(2R)-2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;bis(3-(2-methylpropyl)-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157509307
CID 157797983
CID 157797983
Bis(1,9-dimethyl-1,9-diazaspiro[4.5]decane);bis(2,6-dimethyl-2,6-diazaspiro[4.5]decane);2,9-dimethyl-2,9-diazaspiro[4.5]decane;bis(2,5-dimethyl-2,5-diazaspiro[3.5]nonane);bis(2,5-dimethyl-2,5-diazaspiro[3.4]octane);bis(2,7-dimethyl-2,7-diazaspiro[3.4]octane)
CID 157852705
bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
CID 158088285
bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
CID 158176484
1-Tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;4-tert-butyl-1-[(1-tert-butylpyrrolidin-3-yl)methyl]-4-methylpiperidine;1-tert-butyl-4-[(1-tert-butylpyrrolidin-3-yl)methyl]piperazine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 158243569
1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 158524617
bis(1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine);1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 158564155
2-Tert-butyl-6-methyl-2,6-diazaspiro[4.5]decane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-7-methyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-8-methyl-2,8-diazaspiro[3.5]nonane;7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane;2-tert-butyl-5-methyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-7-methyl-2,7-diazaspiro[3.4]octane;1-methyl-8-propan-2-yl-1,8-diazaspiro[4.5]decane;8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;6-methyl-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;1-methyl-8-propan-2-yl-1,8-diazaspiro[3.5]nonane;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 158887942

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
The IUPAC name of bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) (CID 167609885) is bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine).
What is the SMILES notation for bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
The canonical SMILES for bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) is CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(CC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.
What is the InChIKey of bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
The InChIKey is KWWYTGRGQPSZHZ-QZCUNTRPSA-N. The full InChI is InChI=1S/2C19H38N2.4C18H36N2.2C17H34N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;4*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;2*1-16(2,3)15-7-9-18(10-8-15)11-14-12-19(13-14)17(4,5)6/h2*16-17H,7-15H2,1-6H3;4*15-16H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3/t;;4*15-;;/m..1100../s1.
What are the key properties of bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) has a molecular weight of 2244.00 g/mol, XLogP of 30.92, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) is sourced from PubChem (CID 167609885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).